-A A +A
Type: 
Journal
Description: 
We discuss a β-dependent family of electronic density scalings of the form n λ (r)= λ 3 β+ 1 n (λ β r) in the context of density functional theory. In particular, we consider the following special cases: the Thomas-Fermi scaling (β= 1/3 and λ≫ 1), which is crucial for the semiclassical theory of neutral atoms; the uniform-electron-gas scaling (β=− 1/3 and λ≫ 1), that is important in the semiclassical theory of metallic clusters; the homogeneous density scaling (β= 0) which can be related to the self-interaction problem in density functional theory when λ≤ 1; the fractional scaling (β= 1 and λ≤ 1), that is important for atom and molecule fragmentation; and the strong-correlation scaling (β=− 1 and λ≫ 1) that is important to describe the strong correlation limit. The results of our work provide evidence for the importance of this family of scalings in semiclassical and quantum theory of electronic systems, and indicate that these …
Publisher: 
American Physical Society
Publication date: 
25 Jan 2013
Authors: 

Eduardo Fabiano, Lucian A Constantin

Biblio References: 
Volume: 87 Issue: 1 Pages: 012511
Origin: 
Physical Review A